SCHEMBL18129478

SCHEMBL18129478

CS(=O)(=O)c1cccc(-c2cnc3[nH]cc(C4=CCN(C(=O)OC5CCCC5)CC4)c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.52
BTK Q06187 7/20 0.45
RIPK1 Q13546 1/20 0.43
PLK4 O00444 2/20 0.43
TNIK Q9UKE5 3/20 0.42
MAP3K11 Q16584 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18129477 0.93 BTK (0.46) CAMKK2BTKRIPK1PLK4TNIK
SCHEMBL18129601 0.93 BTK (0.44) CAMKK2BTKRIPK1PLK4TNIK
SCHEMBL18129717 0.92 CAMKK2 (0.44) CAMKK2BTKRIPK1PLK4TNIK
SCHEMBL18129552 0.92 BTK (0.44) CAMKK2BTKPLK4MAP3K11CHEK1
SCHEMBL18129505 0.89 PIK3CA (0.41) CAMKK2BTK
SCHEMBL18129540 0.87 CAMKK2 (0.53) CAMKK2BTKRIPK1PLK4TNIK
SCHEMBL18129609 0.87 CAMKK2 (0.54) CAMKK2BTKRIPK1PLK4TNIK
SCHEMBL18129501 0.87 CAMKK2 (0.54) CAMKK2BTKRIPK1PLK4MAP3K11
SCHEMBL18129728 0.86 CAMKK2 (0.61) CAMKK2BTKRIPK1PLK4TNIK
SCHEMBL18129638 0.86 CAMKK2 (0.52) CAMKK2BTKRIPK1PLK4TNIK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US claimed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US claimed
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TANK, NFKBIA, TBK1 CAMKK2 387/4885BTK 100/4885RIPK1 96/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 CAMKK2 366/4885BTK 114/4885RIPK1 85/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.